N-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide

C10H14N2O — CID 137427658

IUPACN-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide
SMILESCNC1=CCC=C(C)C=C1NC=O
InChIInChI=1S/C10H14N2O/c1-8-4-3-5-9(11-2)10(6-8)12-7-13/h4-7,11H,3H2,1-2H3,(H,12,13)
InChIKeyRKNRUQOTSBPTCC-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.07
Rot. Bonds3

About N-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide

N-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide (PubChem CID 137427658) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide.

Molecular Properties

Compound NameN-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide
PubChem CID137427658
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide
SMILESCNC1=CCC=C(C)C=C1NC=O
InChIInChI=1S/C10H14N2O/c1-8-4-3-5-9(11-2)10(6-8)12-7-13/h4-7,11H,3H2,1-2H3,(H,12,13)
InChIKeyRKNRUQOTSBPTCC-UHFFFAOYSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]formamide
CID 89215008
N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide
CID 123444825
N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide
CID 134525628
N-methyl-N-[(3E,5Z)-5-methyl-3-(methylamino)nona-1,3,5-trien-2-yl]formamide
CID 134567557
N-[(3E,5E)-6-amino-3-methylhepta-1,3,5-trien-4-yl]formamide
CID 141975179
N-(4-methylcyclohepta-1,3,6-trien-1-yl)formamide
CID 142207223
N,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide
CID 142345197
ethane;N-ethylformamide;N,1,5-trimethyl-2H-pyridin-3-amine
CID 142345276
ethane;6-ethyl-N-methylcyclohepta-1,3,6-trien-1-amine;formamide
CID 143345093
N,3-dimethylcyclohepta-1,3,6-trien-1-amine;N-propan-2-ylformamide
CID 143511481
2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine
CID 143552596
N-(6-ethylcyclohexa-1,5-dien-1-yl)formamide;molecular hydrogen
CID 143672238

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide?
The IUPAC name of N-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide (CID 137427658) is N-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide.
What is the SMILES notation for N-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide?
The canonical SMILES for N-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide is CNC1=CCC=C(C)C=C1NC=O.
What is the InChIKey of N-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide?
The InChIKey is RKNRUQOTSBPTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-4-3-5-9(11-2)10(6-8)12-7-13/h4-7,11H,3H2,1-2H3,(H,12,13).
What are the key properties of N-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide?
N-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide has a molecular weight of 178.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide is sourced from PubChem (CID 137427658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).